==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 12-JUN-12 4FK3 . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN KINASE B-RAF; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR Y.ZHANG,W.WANG,K.Y.J.ZHANG . 508 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24053.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 332 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 29.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 1 1 0 0 1 4 0 1 0 2 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 5 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 448 A D 0 0 110 0, 0.0 2,-0.4 0, 0.0 313,-0.0 0.000 360.0 360.0 360.0-110.4 17.0 60.7 10.6 2 449 A D - 0 0 94 2,-0.1 0, 0.0 1,-0.1 0, 0.0 -0.982 360.0-169.5-125.0 136.1 14.8 61.6 13.6 3 450 A W + 0 0 10 -2,-0.4 69,-1.7 2,-0.1 2,-0.2 0.117 41.1 136.9-108.1 19.9 11.2 60.7 14.1 4 451 A E B -a 72 0A 77 67,-0.2 69,-0.2 1,-0.1 -2,-0.1 -0.461 46.6-144.1 -69.6 136.7 10.5 62.9 17.1 5 452 A I - 0 0 3 67,-3.1 69,-0.4 -2,-0.2 3,-0.1 -0.921 25.2-120.4-105.3 112.5 7.3 64.9 17.0 6 453 A P > - 0 0 66 0, 0.0 3,-1.6 0, 0.0 4,-0.3 -0.023 39.9 -81.7 -53.1 151.5 7.7 68.4 18.6 7 454 A D T 3 S+ 0 0 94 1,-0.2 66,-0.0 2,-0.1 0, 0.0 -0.281 113.8 23.9 -59.1 132.8 5.7 69.3 21.7 8 455 A G T 3 S+ 0 0 67 2,-0.2 -1,-0.2 -3,-0.1 0, 0.0 0.339 89.7 103.4 97.7 -5.0 2.2 70.5 20.9 9 456 A Q S < S+ 0 0 91 -3,-1.6 2,-0.5 -4,-0.1 -2,-0.1 0.766 71.1 64.7 -79.5 -26.6 1.8 68.8 17.5 10 457 A I - 0 0 25 -4,-0.3 2,-1.1 -5,-0.1 19,-0.2 -0.870 69.7-148.8-106.5 125.1 -0.5 66.0 18.8 11 458 A T E -B 28 0A 97 17,-1.9 17,-0.7 -2,-0.5 2,-0.1 -0.762 22.4-148.6 -90.4 96.2 -3.9 66.6 20.2 12 459 A V E +B 27 0A 69 -2,-1.1 15,-0.2 15,-0.2 3,-0.1 -0.428 25.5 171.1 -67.2 135.1 -4.3 63.9 22.8 13 460 A G E + 0 0 45 13,-2.5 2,-0.2 1,-0.3 14,-0.1 0.315 37.0 4.7-115.4-121.9 -7.9 62.7 23.2 14 461 A Q E - 0 0 151 1,-0.1 12,-1.9 11,-0.1 2,-0.5 -0.465 67.2-114.3 -78.5 140.8 -9.7 59.9 24.9 15 462 A R E +B 25 0A 147 10,-0.2 10,-0.3 -2,-0.2 3,-0.1 -0.603 33.9 179.3 -72.7 121.3 -8.0 57.4 27.2 16 463 A I E - 0 0 83 8,-3.4 2,-0.3 -2,-0.5 9,-0.2 0.914 51.9 -43.3 -90.6 -51.8 -8.3 54.0 25.5 17 464 A G E -B 24 0A 20 7,-1.4 7,-3.3 2,-0.0 2,-0.3 -0.985 45.0-114.5-168.8 173.1 -6.5 51.7 27.9 18 465 A S E -B 23 0A 82 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.926 23.2-175.3-122.9 149.2 -3.6 50.9 30.2 19 466 A G - 0 0 48 3,-2.5 3,-0.3 -2,-0.3 -2,-0.0 -0.745 48.6 -90.0-128.9 179.4 -0.8 48.4 30.0 20 467 A S S S+ 0 0 135 1,-0.3 2,-0.5 -2,-0.2 -1,-0.1 0.931 125.7 26.1 -59.2 -43.4 2.1 47.3 32.2 21 468 A F S S+ 0 0 94 17,-0.1 -1,-0.3 -3,-0.0 17,-0.1 -0.968 123.1 4.4-120.7 117.5 4.1 49.9 30.4 22 469 A G - 0 0 3 -2,-0.5 -3,-2.5 -3,-0.3 2,-0.4 -0.052 61.0-114.8 104.6 156.5 2.2 52.8 28.9 23 470 A T E -BC 18 37A 28 14,-1.3 14,-2.0 -5,-0.2 2,-0.5 -0.999 30.8-135.9-127.1 134.4 -1.3 54.3 28.7 24 471 A V E +BC 17 36A 42 -7,-3.3 -8,-3.4 -2,-0.4 -7,-1.4 -0.793 25.5 173.6-101.9 128.2 -3.0 54.4 25.3 25 472 A Y E -BC 15 35A 54 10,-2.3 10,-2.4 -2,-0.5 2,-0.4 -0.890 33.4-116.2-124.0 155.6 -4.9 57.4 24.0 26 473 A K E - C 0 34A 74 -12,-1.9 -13,-2.5 -2,-0.3 2,-0.2 -0.769 44.7-164.8 -89.0 139.6 -6.5 58.3 20.7 27 474 A G E -BC 12 33A 2 6,-2.7 6,-1.6 -2,-0.4 2,-0.6 -0.769 27.7-128.1-131.3 168.2 -4.8 61.3 19.0 28 475 A K E +BC 11 32A 86 -17,-0.7 -17,-1.9 -2,-0.2 4,-0.2 -0.937 47.0 132.2-117.6 107.3 -4.8 64.0 16.4 29 476 A W S S- 0 0 22 2,-2.9 -19,-0.1 -2,-0.6 -2,-0.1 -0.649 90.4 -35.2-157.9 96.4 -1.8 64.2 14.1 30 477 A H S S- 0 0 32 -2,-0.2 2,-0.3 342,-0.0 343,-0.1 0.894 133.5 -27.0 53.8 43.5 -2.2 64.5 10.4 31 478 A G S S- 0 0 4 2,-0.0 -2,-2.9 342,-0.0 2,-0.3 -0.731 117.2 -18.6 112.8-167.9 -5.2 62.2 10.9 32 479 A D E +C 28 0A 32 -2,-0.3 52,-0.8 -4,-0.2 2,-0.3 -0.568 65.7 167.3 -79.3 132.6 -5.9 59.6 13.5 33 480 A V E -CD 27 83A 0 -6,-1.6 -6,-2.7 -2,-0.3 2,-0.4 -0.837 30.8-126.6-131.3 173.0 -3.0 58.3 15.6 34 481 A A E -CD 26 82A 10 48,-2.4 48,-2.6 -2,-0.3 2,-0.5 -0.994 20.4-160.1-122.4 132.4 -2.4 56.3 18.8 35 482 A V E -CD 25 81A 3 -10,-2.4 -10,-2.3 -2,-0.4 2,-0.8 -0.950 6.3-164.7-117.2 120.2 -0.2 57.6 21.5 36 483 A K E -CD 24 80A 48 44,-3.2 44,-1.8 -2,-0.5 2,-0.4 -0.836 13.1-158.6-102.6 98.0 1.3 55.4 24.2 37 484 A M E -CD 23 79A 30 -14,-2.0 -14,-1.3 -2,-0.8 42,-0.3 -0.621 21.0-121.2 -76.7 123.7 2.6 57.6 27.0 38 485 A L - 0 0 19 40,-3.0 2,-3.0 -2,-0.4 40,-0.2 -0.259 23.0-107.4 -64.8 148.9 5.2 55.9 29.1 39 486 A N S S+ 0 0 124 38,-0.1 2,-0.3 -19,-0.1 -1,-0.1 -0.401 91.5 97.6 -70.6 65.9 4.7 55.4 32.8 40 487 A V + 0 0 25 -2,-3.0 38,-0.4 38,-0.2 -2,-0.0 -0.988 45.9 180.0-158.7 143.5 7.3 58.1 33.4 41 488 A T + 0 0 127 -2,-0.3 -1,-0.1 36,-0.1 -3,-0.0 0.776 60.4 69.0-110.3 -57.4 7.4 61.8 34.1 42 489 A A S S- 0 0 56 1,-0.1 2,-1.9 35,-0.1 36,-0.1 -0.266 80.3-116.4 -76.3 151.5 10.9 63.1 34.4 43 490 A P - 0 0 119 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 -0.476 40.2-174.5 -78.8 64.9 13.5 63.5 31.6 44 491 A T > - 0 0 52 -2,-1.9 4,-1.8 1,-0.2 3,-0.3 -0.550 18.0-146.7 -66.1 112.7 15.9 61.0 33.2 45 492 A P H > S+ 0 0 98 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.737 92.8 44.4 -56.6 -31.1 19.0 61.2 30.9 46 493 A Q H > S+ 0 0 160 2,-0.2 4,-1.1 1,-0.2 -2,-0.1 0.817 116.1 43.3 -88.1 -33.8 19.9 57.5 31.3 47 494 A Q H > S+ 0 0 81 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.642 105.8 68.7 -81.6 -15.1 16.4 56.0 30.8 48 495 A L H X S+ 0 0 59 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.942 101.7 42.9 -62.1 -51.1 16.0 58.5 28.0 49 496 A Q H X S+ 0 0 95 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.889 111.4 56.0 -61.7 -40.8 18.6 56.7 25.9 50 497 A A H X S+ 0 0 39 -4,-1.1 4,-1.0 1,-0.2 -1,-0.2 0.858 109.8 46.4 -59.6 -37.2 17.0 53.4 27.0 51 498 A F H X S+ 0 0 7 -4,-1.9 4,-1.2 2,-0.2 3,-0.4 0.921 110.8 51.8 -68.4 -45.3 13.7 54.8 25.7 52 499 A K H X S+ 0 0 69 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.834 102.6 60.0 -63.1 -33.6 15.4 55.9 22.4 53 500 A N H X S+ 0 0 87 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.892 103.6 50.5 -60.7 -40.3 16.9 52.4 21.9 54 501 A E H X S+ 0 0 93 -4,-1.0 4,-1.7 -3,-0.4 -1,-0.2 0.791 107.0 54.8 -68.7 -29.4 13.4 50.9 21.9 55 502 A V H X S+ 0 0 9 -4,-1.2 4,-2.7 2,-0.2 -2,-0.2 0.909 103.6 55.7 -66.9 -42.5 12.4 53.5 19.3 56 503 A G H < S+ 0 0 29 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.852 107.8 48.7 -56.8 -37.2 15.4 52.4 17.2 57 504 A V H >< S+ 0 0 44 -4,-1.4 3,-0.9 1,-0.2 -1,-0.2 0.871 112.7 47.9 -70.9 -37.9 13.9 48.9 17.3 58 505 A L H >< S+ 0 0 18 -4,-1.7 3,-1.5 1,-0.2 11,-0.3 0.868 103.5 61.0 -69.6 -36.0 10.5 50.1 16.3 59 506 A R T 3< S+ 0 0 21 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.319 92.8 66.7 -81.6 11.4 11.7 52.2 13.4 60 507 A K T < S+ 0 0 73 -3,-0.9 2,-0.7 -5,-0.1 -1,-0.3 0.160 81.1 95.0-109.1 15.2 13.1 49.2 11.7 61 508 A T < + 0 0 3 -3,-1.5 8,-0.4 6,-0.1 2,-0.3 -0.871 35.2 155.0-114.5 101.3 9.7 47.8 11.1 62 509 A R + 0 0 0 -2,-0.7 2,-0.3 262,-0.2 6,-0.1 -0.644 31.5 124.1-122.1 73.6 8.1 48.5 7.7 63 510 A H > - 0 0 5 -2,-0.3 3,-1.1 3,-0.2 260,-0.1 -0.969 63.0-129.0-132.8 147.8 5.6 45.7 7.2 64 511 A V T 3 S+ 0 0 30 -2,-0.3 4,-0.1 1,-0.2 -1,-0.1 0.845 109.8 49.1 -63.4 -34.7 1.9 45.8 6.5 65 512 A N T 3 S+ 0 0 4 79,-0.1 80,-2.0 2,-0.1 2,-0.5 0.389 97.1 82.9 -91.6 4.5 1.1 43.3 9.3 66 513 A I B < S-f 145 0B 3 -3,-1.1 -3,-0.2 78,-0.2 80,-0.1 -0.936 96.3-101.2-107.1 131.7 3.1 45.2 11.9 67 514 A L - 0 0 30 78,-1.6 2,-0.8 -2,-0.5 -4,-0.1 -0.231 48.0-106.8 -50.9 129.4 1.5 48.1 13.6 68 515 A L - 0 0 11 -4,-0.1 15,-1.7 -6,-0.1 2,-0.2 -0.509 25.9-148.5 -76.9 107.9 2.8 51.2 11.9 69 516 A F E + E 0 82A 3 -2,-0.8 13,-0.2 -8,-0.4 3,-0.1 -0.497 23.2 170.6 -63.5 137.0 5.3 53.2 14.0 70 517 A M E - 0 0 4 11,-2.7 2,-0.3 1,-0.4 12,-0.2 0.605 50.3 -53.6-127.7 -26.9 4.9 56.9 13.1 71 518 A G E - E 0 81A 0 10,-1.7 10,-3.0 -66,-0.0 -1,-0.4 -0.954 44.2-111.8 166.7 178.2 7.0 58.8 15.6 72 519 A Y E -aE 4 80A 2 -69,-1.7 -67,-3.1 -2,-0.3 2,-0.3 -0.966 14.9-146.0-137.5 155.2 7.8 59.6 19.2 73 520 A S E + E 0 79A 2 6,-1.6 6,-2.0 -2,-0.3 -69,-0.0 -0.860 15.4 174.1-119.1 158.3 7.4 62.4 21.7 74 521 A T + 0 0 41 -69,-0.4 3,-0.3 -2,-0.3 -1,-0.1 0.621 69.1 55.2-128.8 -35.2 9.6 63.6 24.6 75 522 A K S S+ 0 0 161 1,-0.2 3,-0.1 2,-0.1 -2,-0.0 0.937 106.3 41.2 -82.8 -50.3 8.3 66.9 26.0 76 523 A P S S- 0 0 75 0, 0.0 -1,-0.2 0, 0.0 2,-0.2 0.381 140.3 -53.1 -81.4 14.0 4.6 66.5 27.0 77 524 A Q S S- 0 0 55 -3,-0.3 2,-0.3 2,-0.1 -36,-0.1 -0.410 75.5 -67.9 130.7 157.4 5.7 63.0 28.3 78 525 A L + 0 0 16 -38,-0.4 -40,-3.0 -40,-0.2 2,-0.3 -0.590 67.6 170.7 -72.5 133.4 7.6 60.1 26.7 79 526 A A E -DE 37 73A 3 -6,-2.0 -6,-1.6 -2,-0.3 2,-0.5 -0.999 37.3-141.7-151.5 146.0 5.4 58.6 24.1 80 527 A I E -DE 36 72A 22 -44,-1.8 -44,-3.2 -2,-0.3 2,-0.5 -0.942 23.5-157.9-104.5 129.0 5.2 56.1 21.2 81 528 A V E +DE 35 71A 0 -10,-3.0 -11,-2.7 -2,-0.5 -10,-1.7 -0.934 21.7 157.4-112.5 125.2 3.0 57.3 18.3 82 529 A T E -DE 34 69A 19 -48,-2.6 -48,-2.4 -2,-0.5 -13,-0.2 -0.727 45.0 -70.7-130.5-179.2 1.5 54.8 15.8 83 530 A Q E -D 33 0A 8 -15,-1.7 2,-0.4 -50,-0.2 -50,-0.2 -0.249 52.5-108.8 -65.1 161.8 -1.3 54.4 13.3 84 531 A W - 0 0 43 -52,-0.8 2,-0.5 -51,-0.1 -1,-0.1 -0.824 27.3-146.0 -96.1 137.0 -4.8 54.2 14.6 85 532 A C - 0 0 24 -2,-0.4 2,-0.3 2,-0.1 53,-0.1 -0.884 4.9-145.5-104.5 130.7 -6.6 50.9 14.3 86 533 A E + 0 0 76 -2,-0.5 53,-1.4 50,-0.1 54,-0.5 -0.735 66.0 14.1 -89.6 141.7 -10.3 50.6 13.7 87 534 A G S S- 0 0 64 -2,-0.3 2,-0.2 51,-0.2 51,-0.1 -0.640 94.2 -56.4 98.8-154.5 -12.2 47.8 15.3 88 535 A S - 0 0 34 49,-0.2 49,-1.7 -2,-0.2 52,-0.2 -0.641 52.2 -83.5-124.2 178.7 -11.1 45.5 18.1 89 536 A S B > -G 136 0B 24 47,-0.2 4,-1.5 -2,-0.2 47,-0.2 -0.236 40.5-108.3 -76.4 169.4 -8.3 43.0 19.0 90 537 A L H > S+ 0 0 0 45,-2.6 4,-2.1 42,-1.1 5,-0.2 0.816 121.4 59.0 -67.1 -29.5 -8.2 39.4 18.0 91 538 A Y H >>S+ 0 0 74 41,-1.5 4,-2.5 44,-0.3 5,-0.6 0.877 103.3 51.1 -64.2 -39.9 -9.0 38.6 21.6 92 539 A H H >>S+ 0 0 80 40,-0.2 4,-1.3 3,-0.2 5,-1.2 0.879 111.3 46.4 -68.8 -39.5 -12.2 40.5 21.5 93 540 A H H <5S+ 0 0 10 -4,-1.5 6,-0.7 3,-0.2 4,-0.4 0.953 119.6 39.2 -66.4 -49.9 -13.5 38.8 18.3 94 541 A L H <5S+ 0 0 26 -4,-2.1 -2,-0.2 1,-0.1 -3,-0.2 0.897 137.3 10.7 -66.2 -43.4 -12.7 35.3 19.5 95 542 A H H <5S+ 0 0 49 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.625 130.6 38.5-117.9 -18.6 -13.6 35.7 23.2 96 543 A A T <> - 0 0 141 -2,-0.4 4,-1.3 1,-0.1 3,-1.2 -0.403 29.5-114.0 -64.6 150.9 -15.9 31.7 8.5 103 550 A M H 3> S+ 0 0 30 1,-0.3 4,-1.4 2,-0.2 5,-0.2 0.761 114.9 64.5 -61.2 -25.1 -13.1 29.2 8.6 104 551 A K H 3> S+ 0 0 150 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.834 101.1 48.9 -66.7 -34.7 -11.6 31.0 5.5 105 552 A K H <> S+ 0 0 43 -3,-1.2 4,-2.9 2,-0.2 5,-0.2 0.900 104.5 59.1 -71.4 -42.6 -10.9 34.1 7.5 106 553 A L H X S+ 0 0 5 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.896 106.8 46.0 -53.7 -47.8 -9.3 32.3 10.4 107 554 A I H X S+ 0 0 17 -4,-1.4 4,-2.8 2,-0.2 -1,-0.2 0.891 112.1 52.3 -64.9 -39.7 -6.6 30.9 8.2 108 555 A D H X S+ 0 0 35 -4,-1.2 4,-3.4 2,-0.2 -2,-0.2 0.924 108.8 49.7 -61.1 -46.3 -6.0 34.2 6.6 109 556 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.900 113.0 46.7 -60.0 -42.9 -5.6 35.9 10.0 110 557 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.895 112.7 50.5 -63.9 -41.8 -3.1 33.2 11.0 111 558 A R H X S+ 0 0 56 -4,-2.8 4,-1.6 2,-0.2 -2,-0.2 0.915 112.3 46.7 -62.1 -44.1 -1.4 33.7 7.6 112 559 A Q H X S+ 0 0 16 -4,-3.4 4,-2.1 2,-0.2 -2,-0.2 0.900 112.7 49.4 -63.6 -42.1 -1.3 37.5 8.2 113 560 A T H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.893 110.8 49.9 -64.7 -40.1 -0.0 36.9 11.8 114 561 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.794 107.6 55.0 -68.9 -29.9 2.7 34.6 10.5 115 562 A R H X S+ 0 0 19 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.926 112.6 42.0 -66.7 -46.4 3.6 37.2 7.8 116 563 A G H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.915 116.3 49.0 -64.1 -44.5 4.1 39.8 10.6 117 564 A M H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -2,-0.2 0.860 109.7 50.4 -67.1 -37.2 5.9 37.3 12.8 118 565 A D H X S+ 0 0 9 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.904 107.8 54.7 -66.3 -40.9 8.3 36.1 10.1 119 566 A Y H X S+ 0 0 1 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.900 106.1 50.8 -60.0 -43.6 9.2 39.6 9.3 120 567 A L H <>S+ 0 0 0 -4,-1.7 5,-4.2 1,-0.2 -1,-0.2 0.889 111.7 48.1 -62.3 -39.7 10.2 40.4 12.9 121 568 A H H ><5S+ 0 0 23 -4,-1.6 3,-1.7 3,-0.3 -2,-0.2 0.884 108.1 54.6 -65.9 -39.9 12.4 37.3 12.9 122 569 A A H 3<5S+ 0 0 55 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.889 110.7 45.4 -60.0 -40.0 13.9 38.3 9.6 123 570 A K T 3<5S- 0 0 54 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.283 123.4-114.0 -83.2 10.0 14.8 41.6 11.2 124 571 A S T < 5 + 0 0 92 -3,-1.7 2,-0.6 1,-0.2 -3,-0.3 0.893 66.1 148.9 57.1 46.5 16.0 39.5 14.2 125 572 A I < - 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